scholarly journals Controlling Heteroepitaxy by Oxygen Chemical Potential: Exclusive Growth of (100) Oriented Ceria Nanostructures on Cu(111)

2016 ◽  
Vol 120 (9) ◽  
pp. 4895-4901 ◽  
Author(s):  
Jan Höcker ◽  
Tomáš Duchoň ◽  
Kateřina Veltruská ◽  
Vladimír Matolín ◽  
Jens Falta ◽  
...  
Keyword(s):  
Chemical Potential ◽  
Oxygen Chemical Potential

The Properties of a Na-Doped Twist Boundary in SrTiO3 from First Principles

2002 ◽  
Vol 751 ◽  
Author(s):  
Roope K. Astala ◽  
Paul D. Bristowe
Keyword(s):  
Electronic Structure ◽  
Grain Boundary ◽  
Plane Wave ◽  
First Principles ◽  
Driving Force ◽  
Chemical Potential ◽  
Twist Boundary ◽  
Atomic Displacements ◽  
Formation Energies ◽  
Oxygen Chemical Potential

ABSTRACTThe segregation of Nasr impurities to a Σ = 5 [001] twist boundary in SrTiO3 is studied using DFT-based plane-wave pseudopotential techniques. The formation energies of the impurities are calculated as a function of oxygen chemical potential and electron chemical potential. The results indicate a strong driving force for segregation to the boundary and that the Na impurities exhibit acceptor-like behaviour. The atomic displacements caused by the impurities are small both in the bulk and at the grain boundary. Based on the results a model is suggested in which Nasr segregation is driven by soft relaxation of the electronic structure.

In Operando Raman Spectroscopy Study on Oxygen Chemical Potential Change in Ni−SDC Cermet Anode for Solid Oxide Fuel Cells

2016 ◽  
Vol 163 (10) ◽  
pp. F1146-F1150
Author(s):  
Toshiaki Matsui ◽  
Kohei Eguchi ◽  
Takeshi Furukawa ◽  
Takeou Okanishi ◽  
Hiroki Muroyama ◽  
...  
Keyword(s):  
Raman Spectroscopy ◽  
Fuel Cells ◽  
Solid Oxide Fuel Cells ◽  
Chemical Potential ◽  
Solid Oxide ◽  
Potential Change ◽  
Oxide Fuel ◽  
Spectroscopy Study ◽  
In Operando ◽  
Oxygen Chemical Potential

Void Formation at the Interface of the Duplex Scale Formed on Fe-5Cr Alloy at 773 K

2011 ◽  
Vol 696 ◽  
pp. 34-38 ◽  
Author(s):  
Mitsutoshi Ueda ◽  
Kenichi Kawamura ◽  
Toshio Maruyama
Keyword(s):  
Potential Distribution ◽  
Chemical Potential ◽  
Volume Fraction ◽  
Void Formation ◽  
Low Oxygen ◽  
Duplex Scale ◽  
Calculated Volume ◽  
Oxide Ion ◽  
Oxygen Chemical Potential ◽  
Good Agreement

Void formation in a duplex scale formed on Fe-5Cr alloy at 773 K has been elucidated by oxygen chemical potential distribution, the flux of oxide ion and its divergence. The calculation predicts that voids preferentially form at the interface between inner and outer scales in the low oxygen partial pressure in which the predominant defect of iron is interstitial ion. The flux of oxide ion changes discontinuously at this interface and the divergence of the flux gives voids. Calculated volume fraction of voids at this interface is in good agreement with that has been measured.

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